4-propan-2-yl-2H-pyridin-3-one

C8H11NO — CID 165380188

IUPAC4-propan-2-yl-2H-pyridin-3-one
SMILESCC(C)C1=CC=NCC1=O
InChIInChI=1S/C8H11NO/c1-6(2)7-3-4-9-5-8(7)10/h3-4,6H,5H2,1-2H3
InChIKeyOJAQUTCMOHHMFO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.22
Rot. Bonds1

About 4-propan-2-yl-2H-pyridin-3-one

4-propan-2-yl-2H-pyridin-3-one (PubChem CID 165380188) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-propan-2-yl-2H-pyridin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2H-pyridin-3-one
PubChem CID165380188
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-propan-2-yl-2H-pyridin-3-one
SMILESCC(C)C1=CC=NCC1=O
InChIInChI=1S/C8H11NO/c1-6(2)7-3-4-9-5-8(7)10/h3-4,6H,5H2,1-2H3
InChIKeyOJAQUTCMOHHMFO-UHFFFAOYSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2H-pyridin-3-one?
The IUPAC name of 4-propan-2-yl-2H-pyridin-3-one (CID 165380188) is 4-propan-2-yl-2H-pyridin-3-one.
What is the SMILES notation for 4-propan-2-yl-2H-pyridin-3-one?
The canonical SMILES for 4-propan-2-yl-2H-pyridin-3-one is CC(C)C1=CC=NCC1=O.
What is the InChIKey of 4-propan-2-yl-2H-pyridin-3-one?
The InChIKey is OJAQUTCMOHHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)7-3-4-9-5-8(7)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2H-pyridin-3-one?
4-propan-2-yl-2H-pyridin-3-one has a molecular weight of 137.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2H-pyridin-3-one is sourced from PubChem (CID 165380188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).